Information card for entry 7230647

Structure parameters

• Formula: C41 H33 N O3
• Calculated formula: C41 H29 N O3
• Title of publication: Solvatomorphism of Reichardt's dye
• Authors of publication: Pike, Sarah J.; Bond, Andrew D.; Hunter, Christopher A.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 21
• Pages of publication: 2912
• a: 16.9431 ± 0.0004 Å
• b: 20.0249 ± 0.0004 Å
• c: 23.9395 ± 0.0005 Å
• α: 101.674 ± 0.002°
• β: 105.876 ± 0.002°
• γ: 118.124 ± 0.005°
• Cell volume: 6342.9 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1706
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.1968
• Weighted residual factors for all reflections included in the refinement: 0.242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No